Drug General Information
Drug ID
DX5EBI
Drug Name
5-(3-(4-(4-methylpiperazin-1-yl)phenyl)prop-1-ynyl)-4-(neopentylamino)pyrimidine-2-carbonitrile
Synonyms
CHEMBL259939
Indication Discovery agent Investigative [1587926]
Formula
C24H30N6
Canonical SMILES
CN1CCN(CC1)c2ccc(CC#Cc3cnc(nc3NCC(C)(C)C)C#N)cc2
InChI
InChI=1S/C24H30N6/c1-24(2,3)18-27-23-20(17-26-22(16-25)28-23)7-5-6-19-8-10-21(11-9-19)30-14-12-29(4)13-15-30/h8-11,17H,6,12-15,18H2,1-4H3,(H,26,27,28)
InChIKey
RVYUARIENPNTJS-UHFFFAOYSA-N
Target and Pathway
Target(s) Cathepsin K Target Info [1587926]
Cathepsin L Target Info [1587926]
KEGG Pathway Lysosome
Osteoclast differentiation
Toll-like receptor signaling pathway
Rheumatoid arthritishsa04142:Lysosome
Phagosome
Antigen processing and presentation
Proteoglycans in cancer
Rheumatoid arthritis
NetPath Pathway TGF_beta_Receptor Signaling Pathway
RANKL Signaling Pathway
IL2 Signaling PathwayNetPath_16:IL4 Signaling Pathway
Reactome Collagen degradation
Degradation of the extracellular matrix
Activation of Matrix Metalloproteinases
Trafficking and processing of endosomal TLR
MHC class II antigen presentationR-HSA-1236977:Endosomal/Vacuolar pathway
Assembly of collagen fibrils and other multimeric structures
MHC class II antigen presentation
WikiPathways RANKL/RANK Signaling Pathway
Osteoclast SignalingWP2572:Primary Focal Segmental Glomerulosclerosis FSGS
References
Ref 1587926URL: https://www.ebi.ac.uk/chembl/ The ChEMBL database in 2017
Ref 1587926URL: https://www.ebi.ac.uk/chembl/ The ChEMBL database in 2017

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